| SpectraBase Compound ID | DmLbm0AHRYS |
|---|---|
| InChI | InChI=1S/C64H104O29/c1-25-36(68)41(73)45(77)54(85-25)90-49-30(67)23-82-53(47(49)79)91-50-37(69)26(2)86-56(48(50)80)92-51-38(70)29(66)22-83-57(51)89-35-13-14-61(7)33(60(35,5)6)12-15-63(9)34(61)11-10-27-28-20-59(3,4)16-18-64(28,19-17-62(27,63)8)58(81)93-55-46(78)43(75)40(72)32(88-55)24-84-52-44(76)42(74)39(71)31(21-65)87-52/h10,25-26,28-57,65-80H,11-24H2,1-9H3/t25-,26-,28-,29+,30+,31+,32+,33-,34+,35-,36-,37-,38-,39+,40+,41+,42-,43-,44+,45+,46+,47+,48+,49-,50+,51+,52+,53-,54-,55-,56-,57-,61-,62+,63+,64-/m0/s1 |
| InChIKey | HYOBKRSRGCZUIX-RAAGZNMLSA-N |
| Mol Weight | 1337.5 g/mol |
| Molecular Formula | C64H104O29 |
| Exact Mass | 1336.666327 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JQAcw8Y72K5 |
|---|---|
| Name | BRETSCHNOSIDE-A;3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-XYLOPYRANOSYL;OLEANOLIC-ACID-2 |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C64H104O29 |
| InChI | InChI=1S/C64H104O29/c1-25-36(68)41(73)45(77)54(85-25)90-49-30(67)23-82-53(47(49)79)91-50-37(69)26(2)86-56(48(50)80)92-51-38(70)29(66)22-83-57(51)89-35-13-14-61(7)33(60(35,5)6)12-15-63(9)34(61)11-10-27-28-20-59(3,4)16-18-64(28,19-17-62(27,63)8)58(81)93-55-46(78)43(75)40(72)32(88-55)24-84-52-44(76)42(74)39(71)31(21-65)87-52/h10,25-26,28-57,65-80H,11-24H2,1-9H3/t25-,26-,28-,29+,30+,31+,32+,33-,34+,35-,36-,37-,38-,39+,40+,41+,42-,43-,44+,45+,46+,47+,48+,49-,50+,51+,52+,53-,54-,55-,56-,57-,61-,62+,63+,64-/m0/s1 |
| InChIKey | HYOBKRSRGCZUIX-RAAGZNMLSA-N |
| Literature Reference Author | J.TIAN,F.E.WU,M.H.QIU,R.L.NIE |
| Literature Reference Citation | PHYTOCHEM.,32,1539(1993) |
| Literature Reference DOI | 10.1016/0031-9422(93)85175-Q |
| Molecular Weight | 1337.512 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU6632 |